Vitas-M small molecule compound
6-hydroxy-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358760
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1sccc1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C11H9N3O4S MW 279.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N3O4S/c1-6-4-5-19-7(6)2-3-8-12-10(15)9(14(17)18)11(16)13-8/h2-5H,1H3,(H2,12,13,15,16)/b3-2+InChIKey
ZFBXTQNLVXVOPZ-NSCUHMNNSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1sccc1C
4HYDROXY2((E)2(3METHYLTHIOPHEN2YL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(3methylthiophen2yl)ethenyl)5nitropyrimidin4(3H)one
CC1=C(SC=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC11H9N3O4Sc1645197(6)2381210(15)9(14(17)18)11(16)138h25H1H3(H212131516)b32+
MFCD06166958
ZINC000009234937
ZINC9234937
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